methyl-phenethyl-[(3S)-1-(phenylmethyl)sulfonylpiperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-(phenylmethyl)sulfonylpiperidin-3-yl]azanium Openeye Name: [(3S)-1-benzylsulfonyl-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: methyl-phenethyl-[(3S)-1-(phenylmethyl)sulfonyl-3-piperidinyl]ammonium IUPAC Name: [(3S)-1-benzylsulfonylpiperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-benzylsulfonyl-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-22(16-14-19-9-4-2-5-10-19)21-13-8-15-23(17-21)26(24,25)18-20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/p+1/t21-/m0/s1